SCHEMBL20629462

SCHEMBL20629462

O=Cc1cc2cc(OC(=O)c3ccccc3)ccc2[nH]1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 11/20 0.63
▸ PDGFRA P16234 11/20 0.63
▸ KMT2A Q03164 5/20 0.57
▸ MEN1 O00255 2/20 0.57
▸ MAPT P10636 2/20 0.57
▸ TDP1 Q9NUW8 1/20 0.57
▸ CYP2A6 P11509 1/20 0.50
▸ CA12 O43570 2/20 0.47
▸ CA9 Q16790 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ POLB P06746 1/20 0.45
▸ PARP10 Q53GL7 1/20 0.43
▸ FGFR1 P11362 1/20 0.43
▸ XDH P47989 1/20 0.43
▸ RAB9A P51151 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9512921 0.81 PDGFRB (0.78) PDGFRBPDGFRAKMT2AMEN1MAPT
SCHEMBL29093475 0.77 PDGFRB (0.62) PDGFRBPDGFRAKMT2AMEN1MAPT
SCHEMBL8602640 0.74 KMT2A (0.64) PDGFRBPDGFRAKMT2AMEN1MAPT
SCHEMBL30523105 0.74 KMT2A (1.00) PDGFRBPDGFRAKMT2AMEN1MAPT
SCHEMBL18058690 0.74 KMT2A (0.93) PDGFRBPDGFRAKMT2AMEN1MAPT
SCHEMBL1639878 0.74 KMT2A (1.00) PDGFRBPDGFRAKMT2AMEN1MAPT
SCHEMBL2465473 0.74 KDM4E (0.64) PDGFRBPDGFRACYP2A6CYP1A2CYP2C9
SCHEMBL29953506 0.73 AXL (0.59) PDGFRBPDGFRAKMT2AMEN1MAPT
SCHEMBL20571284 0.73 CYP2A6 (0.53) TDP1CYP2A6TSHR
SCHEMBL92643 0.73 AXL (0.59) PDGFRBPDGFRAKMT2AMEN1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3424925-A1 NOVEL HDAC6 INHIBITORS, WITH IMPROVED SOLUBILITY AND THEIR USES Universität Regensburg (DE) 2019-01-09 — — EP disclosed
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